methyl 3-[3-(3-bromanyl-4-methoxy-phenyl)propanoylamino]-4-fluoranyl-benzoate

Systemtic Name: methyl 3-[3-(3-bromanyl-4-methoxy-phenyl)propanoylamino]-4-fluoranyl-benzoate Openeye Name: methyl 3-[3-(3-bromo-4-methoxy-phenyl)propanoylamino]-4-fluoro-benzoate CAS Name: 3-[[3-(3-bromo-4-methoxyphenyl)-1-oxopropyl]amino]-4-fluorobenzoic acid methyl ester IUPAC Name: methyl 3-[3-(3-bromo-4-methoxyphenyl)propanoylamino]-4-fluorobenzoate Traditional Name: 3-[3-(3-bromo-4-methoxy-phenyl)propanoylamino]-4-fluoro-benzoic acid methyl ester Formula: C18H17BrFNO4 MolecularWeight: 410.234283

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)NC2=C(C=CC(=C2)C(=O)OC)F)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)NC2=C(C=CC(=C2)C(=O)OC)F)Br

InChI

InChI=1S/C18H17BrFNO4/c1-24-16-7-3-11(9-13(16)19)4-8-17(22)21-15-10-12(18(23)25-2)5-6-14(15)20/h3,5-7,9-10H,4,8H2,1-2H3,(H,21,22)